methyl (1s,3s)-3-aminocyclobutane-1-carboxylate

• ChemBase ID: 310037
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: [C@@H]1(C(=O)OC)C[C@@H](C1)N
• Canonical SMILES: COC(=O)[C@@H]1C[C@@H](C1)N
• InChI: InChI=1S/C6H11NO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3,7H2,1H3/t4-,5+
• InChIKey: XWBSFYWZNUKOEY-SYDPRGILSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (1s,3s)-3-aminocyclobutane-1-carboxylate
• IUPAC Traditional name: methyl (1s,3s)-3-aminocyclobutane-1-carboxylate
• Synonyms: methyl cis-3-aminocyclobutanecarboxylate

Database IDs

• CAS Number: 1212823-38-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.370557
• LogD (pH = 7.4): -2.9473498
• Log P: -0.3466871
• Molar Refractivity: 32.74 cm^3
• Polarizability: 13.364334 Å^3
• Polar Surface Area: 52.32 Å^2